SCHEMBL7640982

SCHEMBL7640982

CC(C)(C)OC(=O)Nc1cc[nH]c(=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
PSMB8 P28062 1/20 0.39
CYP17A1 P05093 2/20 0.38
ATR Q13535 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 1/20 0.36
METAP1 P53582 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29510819 0.82 GSK3B (0.40) SCN9ARAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL21961534 0.82 GSK3B (0.40) SCN9ARAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL31497508 0.80 MAOB (0.50) SCN9ARAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL8709449 0.79 L3MBTL1 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL1609995 0.79 CYP17A1 (0.40) SCN9ARAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL29394473 0.78 LCK (0.47) RAB9ANPC1SMN1; SMN2GSK3BDYRK1A
SCHEMBL30082722 0.77 MAPT (0.35) MEN1KMT2ANAMPT
SCHEMBL21187 0.76 KDM4E (0.47) L3MBTL1
SCHEMBL23616433 0.76 JAK3 (0.51) GSK3BDYRK1A
SCHEMBL1827089 0.75 KDM4E (0.46) L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004417-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO disclosed
US-20160002204-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 US disclosed
US-20160002204-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 US disclosed
US-20160002204-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 US disclosed
CN-103724347-B Method for extracting cytisine from thermopsis lanceolata SICHUAN XIELI PHARMACEUTICAL CO LTD 2015-07-22 CN disclosed
CN-103724347-A Method for extracting cytisine from thermopsis lanceolata SICHUAN XIELI PHARMACEUTICAL CO LTD 2014-04-16 CN disclosed
US-20070167353-A1 PRODRUG COMPOSITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2007-07-19 US disclosed
US-20070167353-A1 PRODRUG COMPOSITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2007-07-19 US disclosed
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US disclosed
EP-0672701-B1 PNA-synthesis using a base labile aminoprotecting group HOECHST AG (DE) 1999-07-28 EP disclosed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0672701-A1 PNA-synthesis using a base labile aminoprotecting group HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160002204-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 SCN9A 1814/4885RAB9A 1960/4885NPC1 508/4885
US-20070167353-A1 PRODRUG COMPOSITION ADA, SLC29A1, SLC29A2 SCN9A 1438/4885RAB9A 533/4885NPC1 2757/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.